CID 53440191

Dtxsid40702415

Structural Information

Molecular Formula
C18H27F5Sn
SMILES
CCCC[Sn](CCCC)(C1=CC=CC=C1)C(CCC(F)(F)F)(F)F
InChI
InChI=1S/C6H5.C4H4F5.2C4H9.Sn/c1-2-4-6-5-3-1;5-3(6)1-2-4(7,8)9;2*1-3-4-2;/h1-5H;1-2H2;2*1,3-4H2,2H3;
InChIKey
PKMFSZCDJPXNAP-UHFFFAOYSA-N
Compound name
dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

458.1055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11278 205.8
[M+Na]+ 481.09472 209.8
[M-H]- 457.09822 200.6
[M+NH4]+ 476.13932 217.7
[M+K]+ 497.06866 204.0
[M+H-H2O]+ 441.10276 193.9
[M+HCOO]- 503.10370 215.5
[M+CH3COO]- 517.11935 220.1
[M+Na-2H]- 479.08017 205.4
[M]+ 458.10495 201.4
[M]- 458.10605 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe